7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol
Basic information
- CAS
83481-43-0- Standard SMILES
OCc1c2ccccc2cc2c3c(ccc12)[C@H](O)[C@@H](O)C=C3- InChIKey
ROEFSOMLGQWZCI-OALUTQOASA-N- Molecular formula
- C19H16O3
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.10994437
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol
- IUPAC
- (3S,4S)-7-(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol
- English name
- 7-hydroxymethylbenz(a)anthracene-3,4-dihydrodiol
- Molecular formula
- C19H16O3
- Molecular weight
- 292.32854
Names & synonyms
7-Ohmba-3,47-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol83481-43-0DTXSID00232369Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-, trans-RefChem:106239DTXCID50154860(3S,4S)-7-(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol(3S,4S)-7-(HYDROXYMETHYL)-3,4-DIHYDROTETRAPHENE-3,4-DIOL
Database identifiers
- CAS
83481-43-0- PubChem CID
- 134237
- DTXSID
DTXSID00232369
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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